2-chloro-3-sulfanylbenzenesulfonamide

C6H6ClNO2S2 — CID 168966087

IUPAC2-chloro-3-sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S)c1Cl
InChIInChI=1S/C6H6ClNO2S2/c7-6-4(11)2-1-3-5(6)12(8,9)10/h1-3,11H,(H2,8,9,10)
InChIKeyRKPNHHMZWZBZEF-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.28
Rot. Bonds1

About 2-chloro-3-sulfanylbenzenesulfonamide

2-chloro-3-sulfanylbenzenesulfonamide (PubChem CID 168966087) has the molecular formula C6H6ClNO2S2 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-chloro-3-sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-3-sulfanylbenzenesulfonamide
PubChem CID168966087
Molecular FormulaC6H6ClNO2S2
Molecular Weight223.71 g/mol
Exact Mass222.95
IUPAC Name2-chloro-3-sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S)c1Cl
InChIInChI=1S/C6H6ClNO2S2/c7-6-4(11)2-1-3-5(6)12(8,9)10/h1-3,11H,(H2,8,9,10)
InChIKeyRKPNHHMZWZBZEF-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylbenzenesulfonamide
CID 11041532
5-sulfanylnaphthalene-1-sulfonamide
CID 67168199
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
2-(2-chloro-3-sulfamoylphenyl)acetamide
CID 169224386
2-(dichloromethyl)benzenesulfonamide
CID 13364615
2-hydroxy-3-sulfanylbenzenesulfonyl chloride
CID 141345068
3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide
CID 166465350
2-[2-(2-chlorophenyl)phenyl]benzenesulfonamide
CID 175024723
2-chloroquinoline-5-sulfonamide
CID 154295379
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
2-amino-3-methylsulfanylbenzenesulfonamide
CID 112675184
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448648

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-sulfanylbenzenesulfonamide?
The IUPAC name of 2-chloro-3-sulfanylbenzenesulfonamide (CID 168966087) is 2-chloro-3-sulfanylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-3-sulfanylbenzenesulfonamide?
The canonical SMILES for 2-chloro-3-sulfanylbenzenesulfonamide is NS(=O)(=O)c1cccc(S)c1Cl.
What is the InChIKey of 2-chloro-3-sulfanylbenzenesulfonamide?
The InChIKey is RKPNHHMZWZBZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S2/c7-6-4(11)2-1-3-5(6)12(8,9)10/h1-3,11H,(H2,8,9,10).
What are the key properties of 2-chloro-3-sulfanylbenzenesulfonamide?
2-chloro-3-sulfanylbenzenesulfonamide has a molecular weight of 223.71 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-sulfanylbenzenesulfonamide is sourced from PubChem (CID 168966087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).